Geometry & MOs

Info

ID:

185337

PubChem CID:

77287791

Reduced:

S2F5O5N6H23C26 (1)

Stoich.:

A2B5C5D6E23F26 (1)

Weight, g/mol:

423.165034

ΔHf, kcal/mol:

-347.48

Dipole, Da:

6.38

IP(EA), eV:

 -8.96(-1.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-5-oxopyrrolidin-1-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC=C2C(=N1)N=C(S2)N3CCN(C(C3)C(=O)NCC4=CC=C(C=C4)OC(F)F)S(=O)(=O)C5=CC=C(C=C5)OC(F)(F)F

DOS

IR

Vibrations